(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C27H38N2O5 — CID 33262243

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C27H38N2O5/c1-19(34-22-10-8-21(9-11-22)27(2,3)4)26(30)28-18-23(29-13-15-33-16-14-29)20-7-12-24(31-5)25(17-20)32-6/h7-12,17,19,23H,13-16,18H2,1-6H3,(H,28,30)/t19-,23+/m0/s1
InChIKeyUKPOJZIBXSJKEK-WMZHIEFXSA-N
MW470.61 g/mol
LogP3.96
Rot. Bonds9

About (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 33262243) has the molecular formula C27H38N2O5 and a molecular weight of 470.61 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID33262243
Molecular FormulaC27H38N2O5
Molecular Weight470.61 g/mol
Exact Mass470.28
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C27H38N2O5/c1-19(34-22-10-8-21(9-11-22)27(2,3)4)26(30)28-18-23(29-13-15-33-16-14-29)20-7-12-24(31-5)25(17-20)32-6/h7-12,17,19,23H,13-16,18H2,1-6H3,(H,28,30)/t19-,23+/m0/s1
InChIKeyUKPOJZIBXSJKEK-WMZHIEFXSA-N
XLogP3.96
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 45155088
2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 24647045
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24647913
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 43019513
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 33262243) is (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1OC.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is UKPOJZIBXSJKEK-WMZHIEFXSA-N. The full InChI is InChI=1S/C27H38N2O5/c1-19(34-22-10-8-21(9-11-22)27(2,3)4)26(30)28-18-23(29-13-15-33-16-14-29)20-7-12-24(31-5)25(17-20)32-6/h7-12,17,19,23H,13-16,18H2,1-6H3,(H,28,30)/t19-,23+/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 470.61 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 33262243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).